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Compound Detail

CHEMBL1801515

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CS(=O)(=O)c1csc(NC(=O)c2ccccc2O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801515
Phase Preclinical
Structure Type MOL
InChI Key WIWPTQGWEWQFLT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.50
ALogP
6
HBA
2
HBD
96.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10N2O4S2
MW 298.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.72

Activity Summary

EC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 500.0 nM 6.3 Antiviral activity against HCV genotype 1b infected in Ava5 cells assessed as in... 22059983

Literature References

PubMed DOI Target Context # Activities
21553812 10.1021/jm200153p Hepatitis B virus 2
22059983 10.1021/jm201264t Hepatitis C virus 2
21553812 10.1021/jm200153p ADMET 1
22059983 10.1021/jm201264t Unchecked 1
22059983 10.1021/jm201264t ADMET 1

Data from ChEMBL 36 via Core Engine